N-(pyridin-3-ylmethyl)adamantane-1-carboxamide

C17H22N2O — CID 585624

IUPACN-(pyridin-3-ylmethyl)adamantane-1-carboxamide
SMILESO=C(NCc1cccnc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H22N2O/c20-16(19-11-12-2-1-3-18-10-12)17-7-13-4-14(8-17)6-15(5-13)9-17/h1-3,10,13-15H,4-9,11H2,(H,19,20)
InChIKeySIOCWTZRIYXTEE-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.91
Rot. Bonds3

About N-(pyridin-3-ylmethyl)adamantane-1-carboxamide

N-(pyridin-3-ylmethyl)adamantane-1-carboxamide (PubChem CID 585624) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)adamantane-1-carboxamide
PubChem CID585624
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-(pyridin-3-ylmethyl)adamantane-1-carboxamide
SMILESO=C(NCc1cccnc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H22N2O/c20-16(19-11-12-2-1-3-18-10-12)17-7-13-4-14(8-17)6-15(5-13)9-17/h1-3,10,13-15H,4-9,11H2,(H,19,20)
InChIKeySIOCWTZRIYXTEE-UHFFFAOYSA-N
XLogP2.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)adamantane-1-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)adamantane-1-carboxamide (CID 585624) is N-(pyridin-3-ylmethyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)adamantane-1-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)adamantane-1-carboxamide is O=C(NCc1cccnc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(pyridin-3-ylmethyl)adamantane-1-carboxamide?
The InChIKey is SIOCWTZRIYXTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c20-16(19-11-12-2-1-3-18-10-12)17-7-13-4-14(8-17)6-15(5-13)9-17/h1-3,10,13-15H,4-9,11H2,(H,19,20).
What are the key properties of N-(pyridin-3-ylmethyl)adamantane-1-carboxamide?
N-(pyridin-3-ylmethyl)adamantane-1-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)adamantane-1-carboxamide is sourced from PubChem (CID 585624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).